Ligand name: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone
PDB ligand accession: W8S
DrugBank: n/a
PubChem: 155268839
ChEMBL: CHEMBL4567991
InChI Key: ZXMXRXCCHDGDFA-UHFFFAOYSA-N
SMILES: Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein J9VVA4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7K9W	Download	Experimental	e7k9wA1 e7k9wB1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot